[(2S)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1S)-1-[(4-ethylphenyl)carbamoyl]-2-methyl-propyl]ammonium CAS Name: [(2S)-1-(4-ethylanilino)-3-methyl-1-oxobutan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-ethylanilino)-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1S)-1-[(4-ethylphenyl)carbamoyl]-2-methyl-propyl]ammonium Formula: C13H21N2O+ MolecularWeight: 221.31864

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C(C(C)C)[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)[C@H](C(C)C)[NH3+]

InChI

InChI=1S/C13H20N2O/c1-4-10-5-7-11(8-6-10)15-13(16)12(14)9(2)3/h5-9,12H,4,14H2,1-3H3,(H,15,16)/p+1/t12-/m0/s1